[2-(2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate

C16H19N3O5 — CID 2398631

IUPAC[2-(2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCc1ccccc1NC(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C16H19N3O5/c1-10-6-4-5-7-11(10)17-12(20)9-24-13(21)8-19-14(22)16(2,3)18-15(19)23/h4-7H,8-9H2,1-3H3,(H,17,20)(H,18,23)
InChIKeySSYPJXMAQLIHFR-UHFFFAOYSA-N
MW333.34 g/mol
LogP0.81
Rot. Bonds5

About [2-(2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate

[2-(2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 2398631) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is [2-(2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[2-(2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID2398631
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name[2-(2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCc1ccccc1NC(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C16H19N3O5/c1-10-6-4-5-7-11(10)17-12(20)9-24-13(21)8-19-14(22)16(2,3)18-15(19)23/h4-7H,8-9H2,1-3H3,(H,17,20)(H,18,23)
InChIKeySSYPJXMAQLIHFR-UHFFFAOYSA-N
XLogP0.81
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

Ethyl N-{[4-(Acetylamino)benzyl]carbamoyl}glycinate
CID 81689780
Ethyl [3-(4-methylphenyl)-2,5-dioxo-1-imidazolidinyl]acetate
CID 2228401
[2-Oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7822115
[2-[Benzyl(tert-butyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 8850426
2-[2,4-bis(oxidanylidene)-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(2-methoxyethyl)ethanamide
CID 16287903
[2-[5-(Diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 24978693
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 24981964
N-(2,5-dimethylphenyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 2524643
2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
CID 2525006
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 4784043
[2-(2,5-Difluoroanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 8898613
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-methylphenyl)butanamide
CID 9502277

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 2398631) is [2-(2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for [2-(2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for [2-(2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is Cc1ccccc1NC(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of [2-(2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is SSYPJXMAQLIHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-10-6-4-5-7-11(10)17-12(20)9-24-13(21)8-19-14(22)16(2,3)18-15(19)23/h4-7H,8-9H2,1-3H3,(H,17,20)(H,18,23).
What are the key properties of [2-(2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate?
[2-(2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 333.34 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylanilino)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 2398631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).